SCHEMBL4458421

SCHEMBL4458421

COC(=O)Oc1cccc2ncn(CC(=O)NCc3ccc(C(C)(C)C)cc3)c12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 4/20 0.42
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
JAK2 O60674 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3044801 0.84 LMNA (0.48) SMN1; SMN2LMNAL3MBTL1TRPV1KMT2A
SCHEMBL4973583 0.84 LMNA (0.52) SMN1; SMN2LMNAL3MBTL1TRPV1KMT2A
SCHEMBL4974450 0.83 TRPV1 (0.51) SMN1; SMN2LMNAL3MBTL1TRPV1KMT2A
SCHEMBL4975771 0.83 LMNA (0.54) SMN1; SMN2LMNAL3MBTL1TRPV1KMT2A
SCHEMBL3038445 0.83 TRPV1 (0.55) SMN1; SMN2LMNAL3MBTL1TRPV1GAA
SCHEMBL4457066 0.82 LMNA (0.53) SMN1; SMN2LMNAL3MBTL1TRPV1KMT2A
SCHEMBL4976192 0.82 LMNA (0.50) SMN1; SMN2LMNAL3MBTL1TRPV1KMT2A
SCHEMBL4976631 0.81 SMN1; SMN2 (0.49) SMN1; SMN2LMNAL3MBTL1TRPV1KMT2A
SCHEMBL4975293 0.81 LMNA (0.49) SMN1; SMN2LMNAL3MBTL1TRPV1KMT2A
SCHEMBL3045467 0.81 SMN1; SMN2 (0.49) SMN1; SMN2LMNAL3MBTL1TRPV1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed